CID 1485410

478080-09-0

Structural Information

Molecular Formula

SMILES

C1=CC(=CC=C1C#N)OC2=CN=NS2

InChI

InChI=1S/C9H5N3OS/c10-5-7-1-3-8(4-2-7)13-9-6-11-12-14-9/h1-4,6H

InChIKey

QCSMLUJOUIXVDV-UHFFFAOYSA-N

Compound name

4-(thiadiazol-5-yloxy)benzonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 203.01534 Da
Monoisotopic Mass: 2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	204.02262	138.9
[M+Na]+	226.00456	151.8
[M+NH4]+	221.04916	144.2
[M+K]+	241.97850	142.2
[M-H]-	202.00806	134.5
[M+Na-2H]-	223.99001	144.5
[M]+	203.01479	139.1
[M]-	203.01589	139.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.